methyl 4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C18H21N3O3S/c1-13-11-16(21-7-9-24-10-8-21)20-18(19-13)25-12-14-3-5-15(6-4-14)17(22)23-2/h3-6,11H,7-10,12H2,1-2H3